SP Brij® S2 MBAL - main component: diethylene glycol octadecyl ether , CAS No.9005-00-9

CAS: 9005-00-9 Cat. No.: S434492 EC Number: 500-017-8

GRADE & PURITY main component: diethylene glycol octadecyl ether

Synonyms

A4605 | BB 0256761 | 2-(octadecyloxy) ethanol | PD160410 | 2-Octadecyloxyethanol | D08975 | FT-0682442 | F20467 | (S)-Methyl 2-amino-3-(3,4-dihydroxyphenyl)propanoate | F77844 | CAS-9005-00-9 | Ethanol,2-(octadecyloxy)- | 8K0ZV6FAIZ | DSSTox_GSID_29299 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

A4605 | BB 0256761 | 2-(octadecyloxy) ethanol | PD160410 | 2-Octadecyloxyethanol | D08975 | FT-0682442 | F20467 | (S)-Methyl 2-amino-3-(3, 4-dihydroxyphenyl)propanoate | F77844 | CAS-9005-00-9 | Ethanol, 2-(octadecyloxy)- | 8K0ZV6FAIZ | DSSTox_GSID_29299 |

Specifications & Purity

main component: diethylene glycol octadecyl ether

Legal Information

Brij is a registered trademark of Croda International PLC

Storage

Argon charged, Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 504754899
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754899
• Canonical Smiles: CCCCCCCCCCCCCCCCCCOCCO
• IUPAC Name: 2-octadecoxyethanol
• InChIKey: ICIDSZQHPUZUHC-UHFFFAOYSA-N
• INCHI: 1S/C20H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h21H,2-20H2,1H3
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCOCCO
• WGK Germany: 2
• Reaxy-Rn: 1770489
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1770489&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 44-45 °C (lit.)
• Molecular Weight: 314.500 g/mol
• XLogP3: 8.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 19
• Exact Mass: 314.318 Da
• Monoisotopic Mass: 314.318 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 183.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Mengyuan Tian, Fuhua Xin, Yanjing Gao, Jun Nie, Fang Sun.  (2021)  Design of a near-infrared-triggered photo/thermal dual-responsive composite carrier with excellent biocompatibility for controllable drug release.  JOURNAL OF APPLIED POLYMER SCIENCE,  139  (17): (52029).  [PMID:] [10.1002/app.52029]

2. Sirui Chen, Guoyuan Xiong, Shuangling Cui, Shufang Zhao, Jilong Lai, Xuening Zhang, Guangyong Zeng, Ying Zeng, Hao Shi.  (2024)  Selective isolation of rubidium with mesoporous silica loaded with ammonium phosphomolybdate via an in-pore crystallization reaction.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.128364]